0 mol 7 unq 0 iso 0 dist 9.33703 6.71084 8.60435 10.3675 6.58469 6.02702 10.6327 14.3576 8.43473 9.60499 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.33703 6.71084 8.60435 14.6139 16.4405 8.72114 18.0156 22.1274 13.8829 7.10621 numMergedOcc 0
2 mol 75 unq 0 iso 0 dist 5.50645 5.78327 7.6433 8.2147 5.36954 9.81166 13.5815 11.1537 11.4997 7.79912 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 8.09408 10.2703 8.70863 13.7005 6.37974 9.82915 9.13494 7.1589 9.29301 7.97049 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 8.09408 10.2703 8.70863 13.7005 6.37974 9.82915 15.9528 11.2808 13.5116 7.47541 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 9.60416 17.0061 8.43352 12.9146 7.32662 6.7117 11.8887 7.26086 7.06961 5.08437 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 9.60416 17.0061 8.43352 14.9393 6.934 4.47349 11.8887 7.26086 7.06961 6.10456 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.20629 9.25614 8.8562 11.5266 4.99056 9.11344 16.3727 13.1741 10.9441 9.87172 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 7.20629 9.25614 8.8562 8.62648 3.78311 6.52773 4.6251 7.77116 7.20179 8.73993 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 7.20629 5.53673 7.91683 8.62648 3.78311 9.23858 4.6251 7.77116 9.89358 8.73993 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 9.31118 5.23583 5.94233 6.24392 5.5703 6.30546 5.50061 9.46588 6.0268 6.06638 numMergedOcc 0
11 mol 126 unq 1 iso 0 dist 8.44104 7.25449 5.94233 11.8562 5.5703 6.30546 13.2671 9.46588 6.0268 6.06638 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 7.67321 15.6039 9.13191 21.7463 14.206 7.96646 19.3884 13.2004 6.73735 9.28393 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.86144 5.71112 7.11785 10.1105 5.93488 9.72611 5.65167 6.51749 5.6044 5.98885 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 6.86144 5.71112 7.11785 10.1105 5.93488 9.72611 9.23179 7.20392 12.9468 9.09537 numMergedOcc 0
15 mol 209 unq 0 iso 0 dist 9.93982 5.78532 7.97418 6.14896 4.90038 6.85935 9.80484 8.41195 6.552 7.56373 numMergedOcc 0
16 mol 209 unq 1 iso 0 dist 9.9518 5.54278 7.97418 10.795 4.90038 6.85935 11.2558 8.41195 6.552 7.56373 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 7.11989 10.4275 9.08955 13.0107 6.42798 9.07471 12.6853 7.862 7.75466 6.00706 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 7.11989 10.4275 9.08955 13.0107 6.42798 9.07471 18.8013 12.5287 13.3447 7.54212 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 8.73422 5.53537 6.57921 13.6896 8.25884 9.40808 6.64614 7.83711 4.9377 8.27212 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 9.67619 7.41736 7.21972 13.1685 6.54009 8.00673 10.3564 10.8604 4.97614 8.44326 numMergedOcc 0
